6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol

C14H22N2O3 — CID 117420119

IUPAC6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
SMILESCOc1ccc(C2CC(CN)CN2C)c(O)c1OC
InChIInChI=1S/C14H22N2O3/c1-16-8-9(7-15)6-11(16)10-4-5-12(18-2)14(19-3)13(10)17/h4-5,9,11,17H,6-8,15H2,1-3H3
InChIKeyXAEQFQRTCLPLSR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds4

About 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol

6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol (PubChem CID 117420119) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
PubChem CID117420119
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
SMILESCOc1ccc(C2CC(CN)CN2C)c(O)c1OC
InChIInChI=1S/C14H22N2O3/c1-16-8-9(7-15)6-11(16)10-4-5-12(18-2)14(19-3)13(10)17/h4-5,9,11,17H,6-8,15H2,1-3H3
InChIKeyXAEQFQRTCLPLSR-UHFFFAOYSA-N
XLogP1.36
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-2-fluoro-3-methoxyphenol
CID 117466485
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-difluorophenol
CID 117357612
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol?
The IUPAC name of 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol (CID 117420119) is 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol.
What is the SMILES notation for 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol?
The canonical SMILES for 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol is COc1ccc(C2CC(CN)CN2C)c(O)c1OC.
What is the InChIKey of 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol?
The InChIKey is XAEQFQRTCLPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-8-9(7-15)6-11(16)10-4-5-12(18-2)14(19-3)13(10)17/h4-5,9,11,17H,6-8,15H2,1-3H3.
What are the key properties of 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol?
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol has a molecular weight of 266.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol is sourced from PubChem (CID 117420119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).